Geometry & MOs

Info

ID:	83754
PubChem CID:	49860953
Reduced:	ClSO2N5C14H14 (1)
Stoich.:	ABC2D5E14F14 (1)
Weight, g/mol:	361.112795
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	5.16
IP(EA), eV:	-8.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-[5-methyl-4-(5-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)NC=C2C3=CSC(=N3)N=C(N)N.Cl

DOS

IR

Vibrations